[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone

C15H21F3N4O2 — CID 46983607

IUPAC[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESCC(C)(O)c1cn(C2CCN(C(=O)C3(C(F)(F)F)CC3)CC2)nn1
InChIInChI=1S/C15H21F3N4O2/c1-13(2,24)11-9-22(20-19-11)10-3-7-21(8-4-10)12(23)14(5-6-14)15(16,17)18/h9-10,24H,3-8H2,1-2H3
InChIKeyVFTLJBIPBCOZFQ-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.01
Rot. Bonds3

About [4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone

[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone (PubChem CID 46983607) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is [4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
PubChem CID46983607
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC Name[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESCC(C)(O)c1cn(C2CCN(C(=O)C3(C(F)(F)F)CC3)CC2)nn1
InChIInChI=1S/C15H21F3N4O2/c1-13(2,24)11-9-22(20-19-11)10-3-7-21(8-4-10)12(23)14(5-6-14)15(16,17)18/h9-10,24H,3-8H2,1-2H3
InChIKeyVFTLJBIPBCOZFQ-UHFFFAOYSA-N
XLogP2.01
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone?
The IUPAC name of [4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone (CID 46983607) is [4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone.
What is the SMILES notation for [4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone?
The canonical SMILES for [4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone is CC(C)(O)c1cn(C2CCN(C(=O)C3(C(F)(F)F)CC3)CC2)nn1.
What is the InChIKey of [4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone?
The InChIKey is VFTLJBIPBCOZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O2/c1-13(2,24)11-9-22(20-19-11)10-3-7-21(8-4-10)12(23)14(5-6-14)15(16,17)18/h9-10,24H,3-8H2,1-2H3.
What are the key properties of [4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone?
[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone has a molecular weight of 346.35 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone is sourced from PubChem (CID 46983607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).